# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_SMR151
_database_code_depnum_ccdc_archive 'CCDC 2254000'
loop_
_audit_author_name
_audit_author_address
'Sengodagounder Muthusamy'
;Bharathidasan University
India
;
_audit_update_record             
;
2023-04-04 deposited with the CCDC.	2023-06-05 downloaded from the CCDC.
;
_chemical_name_systematic        spiro-indolocyclopentene
_chemical_name_common            ORGANIC
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H32 Br2 N2 S2'
_chemical_formula_iupac          ?
_chemical_formula_weight         740.59

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.382(2)
_cell_length_b                   10.472(2)
_cell_length_c                   17.945(4)
_cell_angle_alpha                88.563(6)
_cell_angle_beta                 78.673(6)
_cell_angle_gamma                72.965(6)
_cell_volume                     1651.9(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7433
_cell_measurement_theta_min      2.3066
_cell_measurement_theta_max      30.4025
_cell_measurement_temperature    303.(2)

_exptl_crystal_description       PLATES
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.163
_exptl_crystal_size_mid          0.093
_exptl_crystal_size_min          0.085
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752

_exptl_absorpt_coefficient_mu    2.610
_exptl_absorpt_correction_type   'MULTI SCAN'
_exptl_absorpt_process_details   SADABS

_exptl_absorpt_correction_T_min  0.6760
_exptl_absorpt_correction_T_max  0.8090

_exptl_special_details           
;
;

_diffrn_ambient_temperature      303.(2)

_diffrn_source                   'MICRO FOCUS TUBE'
_diffrn_source_type              ?

_diffrn_radiation_type           Mok\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            65104
_diffrn_reflns_av_R_equivalents  0.1559
_diffrn_reflns_av_unetI/netI     0.1416
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         32.54
_diffrn_reflns_theta_full        32.54
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26

_refine_special_details          
;
;

_reflns_number_total             11747
_reflns_number_gt                4124
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.2098
_refine_ls_R_factor_gt           0.0637
_refine_ls_wR_factor_gt          0.1534
_refine_ls_wR_factor_ref         0.2212
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_restrained_S_all      0.931
_refine_ls_number_reflns         11747
_refine_ls_number_parameters     397
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0958P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.592
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br Br1 0.43548(6) 0.99929(6) 0.25671(3) 0.0717(2) Uani d . . . 1 . .
Br Br2 0.71869(6) 0.57678(5) 0.25205(3) 0.06293(19) Uani d . . . 1 . .
S S1 0.71833(18) 0.59578(18) 0.61508(10) 0.0909(5) Uani d . . . 1 . .
S S2 1.29487(15) 0.07975(16) -0.08499(9) 0.0784(5) Uani d . . . 1 . .
N N1 0.4967(4) 0.6765(3) 0.5358(2) 0.0533(10) Uani d . . . 1 . .
N N2 1.0075(4) 0.1858(3) -0.0123(2) 0.0476(9) Uani d . . . 1 . .
C C1 0.6379(5) 0.6708(5) 0.5459(3) 0.0566(12) Uani d . . . 1 . .
C C2 0.7084(5) 0.7451(4) 0.4822(3) 0.0482(11) Uani d . . . 1 . .
C C3 0.7499(5) 0.8645(5) 0.5127(3) 0.0599(13) Uani d . . . 1 . .
H H3A 0.671025 0.947951 0.510921 0.072 Uiso calc U . R 1 . .
H H3B 0.765795 0.851263 0.564455 0.072 Uiso calc U . R 1 . .
C C4 0.8933(6) 0.8632(6) 0.4594(3) 0.0807(18) Uani d . . . 1 . .
H H4 0.935221 0.933869 0.455656 0.097 Uiso calc U . R 1 . .
C C5 0.9540(6) 0.7531(6) 0.4186(3) 0.0807(18) Uani d . . . 1 . .
H H5 1.044028 0.73598 0.382604 0.097 Uiso calc U . R 1 . .
C C6 0.8627(5) 0.6570(5) 0.4359(3) 0.0600(13) Uani d . . . 1 . .
H H6A 0.910639 0.584481 0.465836 0.072 Uiso calc U . R 1 . .
H H6B 0.849207 0.620117 0.389673 0.072 Uiso calc U . R 1 . .
C C7 0.5881(5) 0.7896(4) 0.4361(3) 0.0457(10) Uani d . . . 1 . .
C C8 0.5818(5) 0.8627(4) 0.3717(3) 0.0486(11) Uani d . . . 1 . .
H H8 0.6638 0.891791 0.348282 0.058 Uiso calc U . R 1 . .
C C9 0.4504(5) 0.8922(4) 0.3425(3) 0.0509(11) Uani d . . . 1 . .
C C10 0.3294(5) 0.8466(5) 0.3750(3) 0.0543(12) Uani d . . . 1 . .
H H10 0.243821 0.865629 0.35306 0.065 Uiso calc U . R 1 . .
C C11 0.3342(5) 0.7726(5) 0.4402(3) 0.0552(12) Uani d . . . 1 . .
H H11 0.253513 0.741345 0.46294 0.066 Uiso calc U . R 1 . .
C C12 0.4642(5) 0.7479(4) 0.4694(3) 0.0465(10) Uani d . . . 1 . .
C C13 0.3879(6) 0.6209(5) 0.5842(3) 0.0644(14) Uani d . . . 1 . .
H H13A 0.440643 0.555548 0.616319 0.077 Uiso calc U . R 1 . .
H H13B 0.344254 0.575045 0.552515 0.077 Uiso calc U . R 1 . .
C C14 0.2616(5) 0.7259(5) 0.6336(3) 0.0569(12) Uani d . . . 1 . .
C C15 0.2921(6) 0.8120(5) 0.6806(3) 0.0698(14) Uani d . . . 1 . .
H H15 0.392247 0.807771 0.681309 0.084 Uiso calc U . R 1 . .
C C16 0.1738(7) 0.9049(6) 0.7267(3) 0.0791(17) Uani d . . . 1 . .
H H16 0.195428 0.964658 0.757115 0.095 Uiso calc U . R 1 . .
C C17 0.0258(7) 0.9108(6) 0.7285(3) 0.0812(17) Uani d . . . 1 . .
H H17 -0.052857 0.972393 0.760536 0.097 Uiso calc U . R 1 . .
C C18 -0.0044(6) 0.8240(6) 0.6821(3) 0.0783(16) Uani d . . . 1 . .
H H18 -0.10467 0.827599 0.682065 0.094 Uiso calc U . R 1 . .
C C19 0.1127(6) 0.7314(5) 0.6354(3) 0.0683(14) Uani d . . . 1 . .
H H19 0.090762 0.672146 0.604771 0.082 Uiso calc U . R 1 . .
C C20 1.1573(5) 0.1743(4) -0.0203(3) 0.0529(11) Uani d . . . 1 . .
C C21 1.1777(5) 0.2610(4) 0.0408(3) 0.0485(11) Uani d . . . 1 . .
C C22 1.2523(5) 0.3711(5) 0.0076(3) 0.0612(13) Uani d . . . 1 . .
H H22A 1.313888 0.344883 -0.042735 0.073 Uiso calc U . R 1 . .
H H22B 1.175883 0.455864 0.00525 0.073 Uiso calc U . R 1 . .
C C23 1.3473(6) 0.3790(6) 0.0631(4) 0.0775(17) Uani d . . . 1 . .
H H23 1.389729 0.448254 0.065676 0.093 Uiso calc U . R 1 . .
C C24 1.3648(6) 0.2784(6) 0.1079(4) 0.0784(17) Uani d . . . 1 . .
H H24 1.422015 0.267852 0.145727 0.094 Uiso calc U . R 1 . .
C C25 1.2842(5) 0.1819(5) 0.0927(3) 0.0588(13) Uani d . . . 1 . .
H H25A 1.226716 0.158705 0.139378 0.071 Uiso calc U . R 1 . .
H H25B 1.354863 0.101025 0.066947 0.071 Uiso calc U . R 1 . .
C C26 1.0159(5) 0.3203(4) 0.0832(2) 0.0474(10) Uani d . . . 1 . .
C C27 0.9584(5) 0.4094(4) 0.1443(3) 0.0516(11) Uani d . . . 1 . .
H H27 1.021467 0.444207 0.166362 0.062 Uiso calc U . R 1 . .
C C28 0.8018(5) 0.4456(4) 0.1720(3) 0.0508(11) Uani d . . . 1 . .
C C29 0.7082(5) 0.3944(4) 0.1403(3) 0.0527(11) Uani d . . . 1 . .
H H29 0.604497 0.419387 0.160854 0.063 Uiso calc U . R 1 . .
C C30 0.7654(5) 0.3058(4) 0.0782(3) 0.0515(11) Uani d . . . 1 . .
H H30 0.702441 0.270934 0.056102 0.062 Uiso calc U . R 1 . .
C C31 0.9207(5) 0.2714(4) 0.0505(2) 0.0444(10) Uani d . . . 1 . .
C C32 0.9407(5) 0.1169(4) -0.0594(3) 0.0529(12) Uani d . . . 1 . .
H H32A 0.870478 0.078135 -0.026363 0.064 Uiso calc U . R 1 . .
H H32B 1.02088 0.044274 -0.087924 0.064 Uiso calc U . R 1 . .
C C33 0.8571(5) 0.2053(4) -0.1144(3) 0.0519(11) Uani d . . . 1 . .
C C34 0.7095(6) 0.2102(5) -0.1150(3) 0.0600(13) Uani d . . . 1 . .
H H34 0.659927 0.162959 -0.079773 0.072 Uiso calc U . R 1 . .
C C35 0.6338(6) 0.2855(5) -0.1681(3) 0.0688(14) Uani d . . . 1 . .
H H35 0.535062 0.286137 -0.169471 0.083 Uiso calc U . R 1 . .
C C36 0.7047(7) 0.3587(5) -0.2184(3) 0.0727(15) Uani d . . . 1 . .
H H36 0.653328 0.411142 -0.253067 0.087 Uiso calc U . R 1 . .
C C37 0.8527(7) 0.3544(5) -0.2175(3) 0.0699(15) Uani d . . . 1 . .
H H37 0.90137 0.403316 -0.252038 0.084 Uiso calc U . R 1 . .
C C38 0.9280(6) 0.2791(5) -0.1665(3) 0.0632(13) Uani d . . . 1 . .
H H38 1.02776 0.276868 -0.166422 0.076 Uiso calc U . R 1 . .


_geom_special_details            
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Br1 C9 . 1.885(5) ?
Br2 C28 . 1.894(4) ?
S1 C1 . 1.643(5) ?
S2 C20 . 1.647(5) ?
N1 C1 . 1.356(6) ?
N1 C12 . 1.426(6) ?
N1 C13 . 1.453(6) ?
N2 C20 . 1.354(5) ?
N2 C31 . 1.414(5) ?
N2 C32 . 1.460(5) ?
C1 C2 . 1.519(6) ?
C2 C7 . 1.489(6) ?
C2 C3 . 1.555(6) ?
C2 C6 . 1.556(6) ?
C3 C4 . 1.487(7) ?
C3 H3A . 0.97 ?
C3 H3B . 0.97 ?
C4 C5 . 1.298(7) ?
C4 H4 . 0.93 ?
C5 C6 . 1.492(7) ?
C5 H5 . 0.93 ?
C6 H6A . 0.97 ?
C6 H6B . 0.97 ?
C7 C8 . 1.371(6) ?
C7 C12 . 1.382(6) ?
C8 C9 . 1.384(6) ?
C8 H8 . 0.93 ?
C9 C10 . 1.378(6) ?
C10 C11 . 1.388(7) ?
C10 H10 . 0.93 ?
C11 C12 . 1.375(6) ?
C11 H11 . 0.93 ?
C13 C14 . 1.507(6) ?
C13 H13A . 0.97 ?
C13 H13B . 0.97 ?
C14 C19 . 1.375(7) ?
C14 C15 . 1.375(7) ?
C15 C16 . 1.382(7) ?
C15 H15 . 0.93 ?
C16 C17 . 1.366(7) ?
C16 H16 . 0.93 ?
C17 C18 . 1.372(8) ?
C17 H17 . 0.93 ?
C18 C19 . 1.381(7) ?
C18 H18 . 0.93 ?
C19 H19 . 0.93 ?
C20 C21 . 1.516(6) ?
C21 C26 . 1.513(6) ?
C21 C25 . 1.548(6) ?
C21 C22 . 1.565(6) ?
C22 C23 . 1.479(7) ?
C22 H22A . 0.97 ?
C22 H22B . 0.97 ?
C23 C24 . 1.301(8) ?
C23 H23 . 0.93 ?
C24 C25 . 1.486(7) ?
C24 H24 . 0.93 ?
C25 H25A . 0.97 ?
C25 H25B . 0.97 ?
C26 C27 . 1.374(6) ?
C26 C31 . 1.375(6) ?
C27 C28 . 1.394(6) ?
C27 H27 . 0.93 ?
C28 C29 . 1.368(6) ?
C29 C30 . 1.384(6) ?
C29 H29 . 0.93 ?
C30 C31 . 1.385(6) ?
C30 H30 . 0.93 ?
C32 C33 . 1.509(6) ?
C32 H32A . 0.97 ?
C32 H32B . 0.97 ?
C33 C34 . 1.373(7) ?
C33 C38 . 1.390(6) ?
C34 C35 . 1.391(7) ?
C34 H34 . 0.93 ?
C35 C36 . 1.368(7) ?
C35 H35 . 0.93 ?
C36 C37 . 1.379(7) ?
C36 H36 . 0.93 ?
C37 C38 . 1.361(7) ?
C37 H37 . 0.93 ?
C38 H38 . 0.93 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 N1 C12 . . 110.7(4) ?
C1 N1 C13 . . 126.9(4) ?
C12 N1 C13 . . 122.4(4) ?
C20 N2 C31 . . 111.1(4) ?
C20 N2 C32 . . 125.9(4) ?
C31 N2 C32 . . 123.0(4) ?
N1 C1 C2 . . 108.2(4) ?
N1 C1 S1 . . 125.6(4) ?
C2 C1 S1 . . 126.1(4) ?
C7 C2 C1 . . 103.1(4) ?
C7 C2 C3 . . 112.2(4) ?
C1 C2 C3 . . 112.3(4) ?
C7 C2 C6 . . 113.3(4) ?
C1 C2 C6 . . 112.8(4) ?
C3 C2 C6 . . 103.5(4) ?
C4 C3 C2 . . 102.9(4) ?
C4 C3 H3A . . 111.2 ?
C2 C3 H3A . . 111.2 ?
C4 C3 H3B . . 111.2 ?
C2 C3 H3B . . 111.2 ?
H3A C3 H3B . . 109.1 ?
C5 C4 C3 . . 113.0(5) ?
C5 C4 H4 . . 123.5 ?
C3 C4 H4 . . 123.5 ?
C4 C5 C6 . . 112.2(5) ?
C4 C5 H5 . . 123.9 ?
C6 C5 H5 . . 123.9 ?
C5 C6 C2 . . 103.1(4) ?
C5 C6 H6A . . 111.2 ?
C2 C6 H6A . . 111.2 ?
C5 C6 H6B . . 111.2 ?
C2 C6 H6B . . 111.2 ?
H6A C6 H6B . . 109.1 ?
C8 C7 C12 . . 119.4(4) ?
C8 C7 C2 . . 131.6(4) ?
C12 C7 C2 . . 109.0(4) ?
C7 C8 C9 . . 118.3(4) ?
C7 C8 H8 . . 120.8 ?
C9 C8 H8 . . 120.8 ?
C10 C9 C8 . . 121.7(5) ?
C10 C9 Br1 . . 119.2(4) ?
C8 C9 Br1 . . 119.1(4) ?
C9 C10 C11 . . 120.5(4) ?
C9 C10 H10 . . 119.8 ?
C11 C10 H10 . . 119.8 ?
C12 C11 C10 . . 116.7(4) ?
C12 C11 H11 . . 121.7 ?
C10 C11 H11 . . 121.7 ?
C11 C12 C7 . . 123.4(5) ?
C11 C12 N1 . . 127.7(4) ?
C7 C12 N1 . . 108.9(4) ?
N1 C13 C14 . . 112.7(4) ?
N1 C13 H13A . . 109.0 ?
C14 C13 H13A . . 109.0 ?
N1 C13 H13B . . 109.0 ?
C14 C13 H13B . . 109.0 ?
H13A C13 H13B . . 107.8 ?
C19 C14 C15 . . 118.9(5) ?
C19 C14 C13 . . 119.8(5) ?
C15 C14 C13 . . 121.3(5) ?
C14 C15 C16 . . 119.9(5) ?
C14 C15 H15 . . 120.0 ?
C16 C15 H15 . . 120.0 ?
C17 C16 C15 . . 121.3(5) ?
C17 C16 H16 . . 119.3 ?
C15 C16 H16 . . 119.3 ?
C16 C17 C18 . . 118.7(5) ?
C16 C17 H17 . . 120.6 ?
C18 C17 H17 . . 120.6 ?
C17 C18 C19 . . 120.5(5) ?
C17 C18 H18 . . 119.7 ?
C19 C18 H18 . . 119.7 ?
C14 C19 C18 . . 120.7(5) ?
C14 C19 H19 . . 119.7 ?
C18 C19 H19 . . 119.7 ?
N2 C20 C21 . . 108.7(4) ?
N2 C20 S2 . . 125.6(4) ?
C21 C20 S2 . . 125.7(3) ?
C26 C21 C20 . . 102.0(3) ?
C26 C21 C25 . . 112.7(4) ?
C20 C21 C25 . . 113.3(4) ?
C26 C21 C22 . . 112.1(4) ?
C20 C21 C22 . . 113.0(4) ?
C25 C21 C22 . . 104.1(3) ?
C23 C22 C21 . . 102.6(4) ?
C23 C22 H22A . . 111.2 ?
C21 C22 H22A . . 111.2 ?
C23 C22 H22B . . 111.2 ?
C21 C22 H22B . . 111.2 ?
H22A C22 H22B . . 109.2 ?
C24 C23 C22 . . 112.5(5) ?
C24 C23 H23 . . 123.7 ?
C22 C23 H23 . . 123.7 ?
C23 C24 C25 . . 113.3(5) ?
C23 C24 H24 . . 123.4 ?
C25 C24 H24 . . 123.4 ?
C24 C25 C21 . . 102.5(4) ?
C24 C25 H25A . . 111.3 ?
C21 C25 H25A . . 111.3 ?
C24 C25 H25B . . 111.3 ?
C21 C25 H25B . . 111.3 ?
H25A C25 H25B . . 109.2 ?
C27 C26 C31 . . 120.6(4) ?
C27 C26 C21 . . 130.4(4) ?
C31 C26 C21 . . 109.0(4) ?
C26 C27 C28 . . 117.4(4) ?
C26 C27 H27 . . 121.3 ?
C28 C27 H27 . . 121.3 ?
C29 C28 C27 . . 121.8(4) ?
C29 C28 Br2 . . 120.1(3) ?
C27 C28 Br2 . . 118.1(3) ?
C28 C29 C30 . . 121.0(4) ?
C28 C29 H29 . . 119.5 ?
C30 C29 H29 . . 119.5 ?
C29 C30 C31 . . 116.9(4) ?
C29 C30 H30 . . 121.6 ?
C31 C30 H30 . . 121.6 ?
C26 C31 C30 . . 122.4(4) ?
C26 C31 N2 . . 109.1(4) ?
C30 C31 N2 . . 128.5(4) ?
N2 C32 C33 . . 114.2(3) ?
N2 C32 H32A . . 108.7 ?
C33 C32 H32A . . 108.7 ?
N2 C32 H32B . . 108.7 ?
C33 C32 H32B . . 108.7 ?
H32A C32 H32B . . 107.6 ?
C34 C33 C38 . . 118.9(5) ?
C34 C33 C32 . . 119.7(4) ?
C38 C33 C32 . . 121.4(4) ?
C33 C34 C35 . . 120.3(5) ?
C33 C34 H34 . . 119.9 ?
C35 C34 H34 . . 119.9 ?
C36 C35 C34 . . 120.0(5) ?
C36 C35 H35 . . 120.0 ?
C34 C35 H35 . . 120.0 ?
C35 C36 C37 . . 119.6(5) ?
C35 C36 H36 . . 120.2 ?
C37 C36 H36 . . 120.2 ?
C38 C37 C36 . . 120.5(5) ?
C38 C37 H37 . . 119.8 ?
C36 C37 H37 . . 119.8 ?
C37 C38 C33 . . 120.6(5) ?
C37 C38 H38 . . 119.7 ?
C33 C38 H38 . . 119.7 ?



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Ethyl acetate and hexane'
